ChemSpider 2D Image | 1-Methyl-6-[4-methyl-1-(4-methyl-1-piperidinyl)-1-oxo-2-pentanyl]-4-[2-(trifluoromethyl)phenyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione | C26H33F3N4O3

1-Methyl-6-[4-methyl-1-(4-methyl-1-piperidinyl)-1-oxo-2-pentanyl]-4-[2-(trifluoromethyl)phenyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione

  • Molecular FormulaC26H33F3N4O3
  • Average mass506.560 Da
  • Monoisotopic mass506.250488 Da
  • ChemSpider ID29225542

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1H-Pyrrolo[3,4-d]pyrimidine-2,5-dione, 3,4,6,7-tetrahydro-1-methyl-6-[3-methyl-1-[(4-methyl-1-piperidinyl)carbonyl]butyl]-4-[2-(trifluoromethyl)phenyl]- [ACD/Index Name]
1-Methyl-6-[4-methyl-1-(4-methyl-1-piperidinyl)-1-oxo-2-pentanyl]-4-[2-(trifluormethyl)phenyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidin-2,5-dion [German] [ACD/IUPAC Name]
1-Methyl-6-[4-methyl-1-(4-methyl-1-piperidinyl)-1-oxo-2-pentanyl]-4-[2-(trifluoromethyl)phenyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione [ACD/IUPAC Name]
1-Méthyl-6-[4-méthyl-1-(4-méthyl-1-pipéridinyl)-1-oxo-2-pentanyl]-4-[2-(trifluorométhyl)phényl]-3,4,6,7-tétrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 697.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 375.4±31.5 °C
Index of Refraction: 1.579
Molar Refractivity: 128.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 3.72
ACD/BCF (pH 5.5): 396.66
ACD/KOC (pH 5.5): 2520.89
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 396.54
ACD/KOC (pH 7.4): 2520.11
Polar Surface Area: 73 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 50.7±5.0 dyne/cm
Molar Volume: 387.2±5.0 cm3

Click to predict properties on the Chemicalize site


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